About 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151503972) has the molecular formula C24H23BrClF2N3OSi
and a molecular weight of 550.91 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 151503972 |
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| Molecular Formula | C24H23BrClF2N3OSi |
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| Molecular Weight | 550.91 g/mol |
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| Exact Mass | 549.05 |
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| IUPAC Name | 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F |
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| InChI | InChI=1S/C24H23BrClF2N3OSi/c1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22/h4-5,8-13H,6-7,14H2,1-3H3 |
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| InChIKey | PRAIIPRPAZSLRE-UHFFFAOYSA-N |
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| XLogP | 7.77 |
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| TPSA | 39.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 550.91 |
| LogP ≤ 5 | 7.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151503972) is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F.
What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PRAIIPRPAZSLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClF2N3OSi/c1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22/h4-5,8-13H,6-7,14H2,1-3H3.
What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 550.91 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151503972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).